Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

attaching User defined MD logger #328

Merged
merged 8 commits into from
Jul 30, 2024
Merged

attaching User defined MD logger #328

merged 8 commits into from
Jul 30, 2024

Conversation

jungsdao
Copy link
Contributor

@jungsdao jungsdao commented Jul 30, 2024 •
edited
Loading

  • Allow MDLogger class to be attached to MD
  • Current MD temperature is saved in info

@bernstei
Copy link
Contributor

Looks reasonable. Can you add a test that does a few MDs with autoparallelization and confirms that the correctly named logfiles are created?

@jungsdao
Copy link
Contributor Author

Yes I have added pytest for MDLogger.

@bernstei
Copy link
Contributor

Thanks, looks good. I'll merge once the tests pass.

@bernstei bernstei merged commit 60ea94d into libAtoms:main Jul 30, 2024
3 checks passed
@bernstei bernstei mentioned this pull request Jul 31, 2024
Closed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers
No reviews
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
2 participants
@jungsdao @bernstei